General Information / Requirements

Duration: approx. 45 minutes

Description of Activity:

In this tutorial, we will demonstrate how to effectively use the validation and reporting web services behind the applications of ToxPredict and ToxCreate. Using web forms, we will contact the web services and validate a model or algorithm using a number of different approaches such as k-fold split, training-test-split, or bootstrapping. Furthermore, we will generate a QMRF report and visualize it using the QMRF Editor web start application. This tutorial is aimed at advanced users and developers, who want to look behind the scenes.

Datasets:

Datasets will be provided

Required Software:

Please download and install the following software, if you do not have them already on your PC:

Validation Examples

In this part we will have a look how to access the
validation web services using the command line tool curl (http://curl.haxx.se).

First we want to list all available validations. To do that,
it is necessary, to execute the following command in a terminal window:

curl http://opentox.informatik.uni-freiburg.de/validation

Validate an algorithm on a dataset via training-test-split

This
will create a new validation object. A model is constructed by splitting a
dataset into two parts: one for learning a model and one for testing, i.e.
predicting and estimating the performance of the constructed model. Splitting
the dataset is done in random fashion. One can also define the ratio for
splitting into training and test, the default is 67% training and 33% test.

Validating algorithms may be a time consuming task.
Therefore the result of the above curl call is a task URI. To query the status
of the task URI, enter the following command in the terminal (where the term
<TASK-ID> should be replaced with the correct task ID.

curl http://opentox.informatik.uni-freiburg.de/task/<TASK-ID>

As soon as the task is completed, your validation is
available. The validation URI can be found in the resultURI property of the
task: